4-bromo-N,N-bis(2,2,2-trifluoroethyl)naphthalen-1-amine

C14H10BrF6N — CID 11200011

IUPAC4-bromo-N,N-bis(2,2,2-trifluoroethyl)naphthalen-1-amine
SMILESFC(F)(F)CN(CC(F)(F)F)c1ccc(Br)c2ccccc12
InChIInChI=1S/C14H10BrF6N/c15-11-5-6-12(10-4-2-1-3-9(10)11)22(7-13(16,17)18)8-14(19,20)21/h1-6H,7-8H2
InChIKeyOAMBEVOJTHPNID-UHFFFAOYSA-N
MW386.13 g/mol
LogP5.53
Rot. Bonds3

About 4-bromo-N,N-bis(2,2,2-trifluoroethyl)naphthalen-1-amine

4-bromo-N,N-bis(2,2,2-trifluoroethyl)naphthalen-1-amine (PubChem CID 11200011) has the molecular formula C14H10BrF6N and a molecular weight of 386.13 g/mol. Its IUPAC name is 4-bromo-N,N-bis(2,2,2-trifluoroethyl)naphthalen-1-amine.

Molecular Properties

Compound Name4-bromo-N,N-bis(2,2,2-trifluoroethyl)naphthalen-1-amine
PubChem CID11200011
Molecular FormulaC14H10BrF6N
Molecular Weight386.13 g/mol
Exact Mass384.99
IUPAC Name4-bromo-N,N-bis(2,2,2-trifluoroethyl)naphthalen-1-amine
SMILESFC(F)(F)CN(CC(F)(F)F)c1ccc(Br)c2ccccc12
InChIInChI=1S/C14H10BrF6N/c15-11-5-6-12(10-4-2-1-3-9(10)11)22(7-13(16,17)18)8-14(19,20)21/h1-6H,7-8H2
InChIKeyOAMBEVOJTHPNID-UHFFFAOYSA-N
XLogP5.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.13
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-bis(2,2,2-trifluoroethyl)naphthalen-1-amine?
The IUPAC name of 4-bromo-N,N-bis(2,2,2-trifluoroethyl)naphthalen-1-amine (CID 11200011) is 4-bromo-N,N-bis(2,2,2-trifluoroethyl)naphthalen-1-amine.
What is the SMILES notation for 4-bromo-N,N-bis(2,2,2-trifluoroethyl)naphthalen-1-amine?
The canonical SMILES for 4-bromo-N,N-bis(2,2,2-trifluoroethyl)naphthalen-1-amine is FC(F)(F)CN(CC(F)(F)F)c1ccc(Br)c2ccccc12.
What is the InChIKey of 4-bromo-N,N-bis(2,2,2-trifluoroethyl)naphthalen-1-amine?
The InChIKey is OAMBEVOJTHPNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF6N/c15-11-5-6-12(10-4-2-1-3-9(10)11)22(7-13(16,17)18)8-14(19,20)21/h1-6H,7-8H2.
What are the key properties of 4-bromo-N,N-bis(2,2,2-trifluoroethyl)naphthalen-1-amine?
4-bromo-N,N-bis(2,2,2-trifluoroethyl)naphthalen-1-amine has a molecular weight of 386.13 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-bis(2,2,2-trifluoroethyl)naphthalen-1-amine is sourced from PubChem (CID 11200011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).